NRC-AN-019

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H17F6N5O
Molecular Weight	517.4258
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C=C1NC3=NC=CC(=N3)C4=CC=CN=C4

InChI

InChIKey=LCPGCGAJBOWMIP-UHFFFAOYSA-N

InChI=1S/C25H17F6N5O/c1-14-4-5-19(12-21(14)36-23-33-8-6-20(35-23)15-3-2-7-32-13-15)34-22(37)16-9-17(24(26,27)28)11-18(10-16)25(29,30)31/h2-13H,1H3,(H,34,37)(H,33,35,36)

HIDE SMILES / InChI

Molecular Formula	C25H17F6N5O
Molecular Weight	517.4258
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23151973 | https://ascopubs.org/doi/abs/10.1200/jco.2013.31.15_suppl.7080 | https://www.ncbi.nlm.nih.gov/pubmed/21674127

NRC-AN-019 has been found to be a promising new lead compound for the therapy of imatinib mesylate-resistant chronic myeloid leukemia. NRC-AN-019 showed considerable safety and response. In addition, it has the therapeutic potential in the treatment of Her-2-positive breast cancer.

Approval Year

PubMed

Title	Date	PubMed
Antitumor activity of NRC-AN-019 in a pre-clinical breast cancer model.	2011 Sep	21674127
Design, synthesis and preclinical evaluation of NRC-AN-019.	2013 Jan	23151973

Patents

Sample Use Guides

In Vivo Use Guide

Dosing was initiated at 50 mg/day and dose escalation was done in increments of 50 mg per each additional cohort. The maximum dose administered was 450 mg/day. The protocol-specific study duration was 30 days; patients continued to receive the study drug subsequently based on Investigator’s decision

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:46:19 GMT 2023` Edited by `admin` on `Sat Dec 16 01:46:19 GMT 2023`
Record UNII	K6W49JL148
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NRC-AN-019

Common Name

English

(3,5-BIS TRIFLUOROMETHYL)-N-(4-METHYL-3-(4-PYRIDIN-3YL-PYRIMIDIN-2-YL AMINO) PHENYL)BENZAMIDE

Systematic Name

English

3,5-BIS(TRIFLUOROMETHYL)-N-(4-METHYL-3-((4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)AMINO)PHENYL)BENZAMIDE

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

336911